Article
Incorporation of flexibility into rigid-body docking: applications in rounds 3-5 of CAPRI.
Proteins - 1 Aug 2005
Smith Graham R, Fitzjohn Paul W, Page Christopher S, Bates Paul A
Abstract excerpt
We have submitted models for all 9 targets in Rounds 3-5 of CAPRI and have predicted at least 30% of the correct contacts for 4 of the targets and at least 10% of the correct contacts for another 4 targets. We have employed a variety of techniques but have had the greatest success by combining established rigid-body docking with a variety of initial conformations generated by molecular dynamics.
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